9,10-dimethyl-5-methylidenepentadecane

C18H36 — CID 142544689

IUPAC9,10-dimethyl-5-methylidenepentadecane
SMILESC=C(CCCC)CCCC(C)C(C)CCCCC
InChIInChI=1S/C18H36/c1-6-8-10-14-17(4)18(5)15-11-13-16(3)12-9-7-2/h17-18H,3,6-15H2,1-2,4-5H3
InChIKeyRUHAMEAFJZRWTK-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.76
Rot. Bonds12

About 9,10-dimethyl-5-methylidenepentadecane

9,10-dimethyl-5-methylidenepentadecane (PubChem CID 142544689) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 9,10-dimethyl-5-methylidenepentadecane.

Molecular Properties

Compound Name9,10-dimethyl-5-methylidenepentadecane
PubChem CID142544689
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name9,10-dimethyl-5-methylidenepentadecane
SMILESC=C(CCCC)CCCC(C)C(C)CCCCC
InChIInChI=1S/C18H36/c1-6-8-10-14-17(4)18(5)15-11-13-16(3)12-9-7-2/h17-18H,3,6-15H2,1-2,4-5H3
InChIKeyRUHAMEAFJZRWTK-UHFFFAOYSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-8-methylidenedodecane
CID 123605795
17-methylidenetricosan-9-amine
CID 129036120
5-methyl-9-methylidenetetradecane
CID 142037910
2,10,11-trimethylicos-1-ene
CID 123857380
11,12-dimethyltricosane
CID 173430605
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyloctacosane
CID 23345853
8,9-dimethylhexacosane
CID 160651612
2-chloro-6-methylidenedodecane
CID 139337956
2-methyl-5-methylideneundecane
CID 54320712
6-methylidenedodecane
CID 21453027

Frequently Asked Questions

What is the IUPAC name of 9,10-dimethyl-5-methylidenepentadecane?
The IUPAC name of 9,10-dimethyl-5-methylidenepentadecane (CID 142544689) is 9,10-dimethyl-5-methylidenepentadecane.
What is the SMILES notation for 9,10-dimethyl-5-methylidenepentadecane?
The canonical SMILES for 9,10-dimethyl-5-methylidenepentadecane is C=C(CCCC)CCCC(C)C(C)CCCCC.
What is the InChIKey of 9,10-dimethyl-5-methylidenepentadecane?
The InChIKey is RUHAMEAFJZRWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-6-8-10-14-17(4)18(5)15-11-13-16(3)12-9-7-2/h17-18H,3,6-15H2,1-2,4-5H3.
What are the key properties of 9,10-dimethyl-5-methylidenepentadecane?
9,10-dimethyl-5-methylidenepentadecane has a molecular weight of 252.49 g/mol, XLogP of 6.76, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethyl-5-methylidenepentadecane is sourced from PubChem (CID 142544689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).